1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol

C12H17F5O — CID 150262604

IUPAC1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol
SMILESCCCCCC1=CCCC1(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F5O/c1-2-3-4-6-9-7-5-8-10(9,18)11(13,14)12(15,16)17/h7,18H,2-6,8H2,1H3
InChIKeyGBWDOWSWNVSIBR-UHFFFAOYSA-N
MW272.26 g/mol
LogP4.22
Rot. Bonds5

About 1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol

1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol (PubChem CID 150262604) has the molecular formula C12H17F5O and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol
PubChem CID150262604
Molecular FormulaC12H17F5O
Molecular Weight272.26 g/mol
Exact Mass272.12
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol
SMILESCCCCCC1=CCCC1(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F5O/c1-2-3-4-6-9-7-5-8-10(9,18)11(13,14)12(15,16)17/h7,18H,2-6,8H2,1H3
InChIKeyGBWDOWSWNVSIBR-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Cyclohexen-1-yl)propan-2-ol
CID 279472
2-(Cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 15965868
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 20760915
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 20760916
2-(2-Bicyclo[2.2.1]hept-2-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20760919
1,1,1-Trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol
CID 22887492
1,1,1,3,3,3-Hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol
CID 23528230
1,2,2,2-Tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol
CID 23534650
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 58455651
1,1,1-Trifluoro-2-[3-(2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 68006648
4-Cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(fluoromethyl)butan-2-ol
CID 68274125
1,1,1-Trifluoro-2-[4-(5-methylhexan-3-yl)cyclohexen-1-yl]but-3-en-2-ol
CID 68384493

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol (CID 150262604) is 1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol is CCCCCC1=CCCC1(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol?
The InChIKey is GBWDOWSWNVSIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F5O/c1-2-3-4-6-9-7-5-8-10(9,18)11(13,14)12(15,16)17/h7,18H,2-6,8H2,1H3.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol?
1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol has a molecular weight of 272.26 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)-2-pentylcyclopent-2-en-1-ol is sourced from PubChem (CID 150262604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).